6-propylpyridin-2-amine

• ChemBase ID: 815903
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(cccc1CCC)N
• Canonical SMILES: CCCc1cccc(n1)N
• InChI: InChI=1S/C8H12N2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
• InChIKey: JDRTXRTVJTWITJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-propylpyridin-2-amine
• IUPAC Traditional name: 6-propylpyridin-2-amine
• Synonyms: 6-PROPYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 41995-29-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17115909
• LogD (pH = 7.4): 1.5061923
• Log P: 1.7975796
• Molar Refractivity: 42.7344 cm^3
• Polarizability: 16.023037 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%